1-Benzyl-1,2,3,6-tetrahydropyridine

C12H15NCAS 40240-12-8173.26 g/mol

Open in Covalent MOL file
N
AlkeneTertiary amine

Properties

Molecular formula
C12H15N
Molar mass
173.26 g/mol
Exact mass
173.1204 Da
logP
2.45Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
40240-12-8
SMILES
C1CN(CC=C1)CC2=CC=CC=C2
InChIKey
SIRJFTFGHZXRRZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • N-Benzyl-1,2,3,6-tetrahydropyridine

Work with 1-Benzyl-1,2,3,6-tetrahydropyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzyl-2,5-dihydro-1H-pyrrole6913-92-473 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-556 % similar Tribenzylamine620-40-654 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-250 % similar 1-Benzylpiperidine2905-56-850 % similar 1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine32018-56-749 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-447 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,3-Trimethyl-2-methyleneindoline118-12-7 2,2,4-Trimethyl-1,2-dihydroquinoline147-47-7 2-(1,1-Dimethylethyl)-1H-indole1805-65-8 2,3,3,5-Tetramethyl-3H-indole25981-82-2 2,2,4-Trimethyl-1,2-dihydroquinoline polymer26780-96-1 (4-tert-Butylphenyl)acetonitrile3288-99-1 4'-Diethylaminophenyl acetylene41876-70-4 Julolidine479-59-4

Elsewhere

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